[AMBER] flip command in leap

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From: Peter Varnai <P.Varnai.sussex.ac.uk>
Date: Wed, 31 Aug 2011 10:54:40 +0000

Hello,

I saw in the leap source code that there is a command 'flip' in comand.c - I am trying to flip the chirality of some atoms in a peptide using tleap rather than xleap with AmberTools1.5. I am getting segmentation faults so I think my syntax is not correct.

Can anyone send me a line that shows how 'flip' works in tleap?

Many thanks,
Peter
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Received on Wed Aug 31 2011 - 04:00:02 PDT